2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H27N5O2S/c1-32-21-12-13-22(24(16-21)33-2)23-11-7-15-29(23)18-30-26(34)31(20-9-4-3-5-10-20)25(28-30)19-8-6-14-27-17-19/h3-6,8-10,12-14,16-17,23H,7,11,15,18H2,1-2H3